Home Other Building Blocks Methyl 4-hydroxyhex-2-ynoate

Methyl 4-hydroxyhex-2-ynoate

CAS No.:
112780-04-8
Catalog Number:
AG003RVI
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
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Product Description
Catalog Number:
AG003RVI
Chemical Name:
Methyl 4-hydroxyhex-2-ynoate
CAS Number:
112780-04-8
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD04039770
IUPAC Name:
methyl 4-hydroxyhex-2-ynoate
InChI:
InChI=1S/C7H10O3/c1-3-6(8)4-5-7(9)10-2/h6,8H,3H2,1-2H3
InChI Key:
GMESNUCOCRRYJV-UHFFFAOYSA-N
SMILES:
CCC(C#CC(=O)OC)O
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Allergic contact dermatitis from 4-chloro-2-[methylthio]pyrimidine-5-carboxylic acid ethyl ester and methyl 4-hydroxy-2-hexynoate in a laboratory chemist. Contact dermatitis 20080201
Properties